# generated using pymatgen
data_VRuCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24414477
_cell_length_b   6.24414493
_cell_length_c   5.78295436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRuCl6
_chemical_formula_sum   'V1 Ru1 Cl6'
_cell_volume   195.26586871
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  V  V0  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru1  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl2  1  0.70051735  0.00000000  0.75196926  1.0
  Cl  Cl3  1  0.70051735  0.70051735  0.24803074  1.0
  Cl  Cl4  1  0.29948265  0.00000000  0.24803074  1.0
  Cl  Cl5  1  0.29948265  0.29948265  0.75196926  1.0
  Cl  Cl6  1  1.00000000  0.70051735  0.75196926  1.0
  Cl  Cl7  1  0.00000000  0.29948265  0.24803074  1.0